4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine

C11H18F2N2OS — CID 103149573

IUPAC4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1nccs1
InChIInChI=1S/C11H18F2N2OS/c1-2-14-9(3-5-16-8-10(12)13)7-11-15-4-6-17-11/h4,6,9-10,14H,2-3,5,7-8H2,1H3
InChIKeyRJBODZRSIMWSQN-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.34
Rot. Bonds9

About 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine

4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 103149573) has the molecular formula C11H18F2N2OS and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID103149573
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC Name4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1nccs1
InChIInChI=1S/C11H18F2N2OS/c1-2-14-9(3-5-16-8-10(12)13)7-11-15-4-6-17-11/h4,6,9-10,14H,2-3,5,7-8H2,1H3
InChIKeyRJBODZRSIMWSQN-UHFFFAOYSA-N
XLogP2.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 103028589
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CID 103028591
CID 103028592
CID 103028592
CID 129730488
CID 129730488
CID 63001892
CID 63001892
CID 64480833
CID 64480833
CID 64481599
CID 64481599
CID 64481834
CID 64481834
CID 64482001
CID 64482001
CID 64993188
CID 64993188
CID 65803858
CID 65803858

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine (CID 103149573) is 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine is CCNC(CCOCC(F)F)Cc1nccs1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is RJBODZRSIMWSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-2-14-9(3-5-16-8-10(12)13)7-11-15-4-6-17-11/h4,6,9-10,14H,2-3,5,7-8H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine?
4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 264.34 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-ethyl-1-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 103149573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).